[1,1'-Biphenyl]-4-acetic acid, 4'-[4-[[[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]-, ethyl ester
기본 정보
- 표준 SMILES
CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)O[C@H](C)c3ccccc3Cl)cc2)cc1- InChIKey
OCERXKCDEKVLKY-LJQANCHMSA-N- 분자식
- C29H27ClN2O5
- 평균 분자량
- 519 g/mol
이름 및 식별자
- 우선 이름
- [1,1'-Biphenyl]-4-acetic acid, 4'-[4-[[[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]-, ethyl ester
- IUPAC
- ethyl 2-[4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate
이름 및 동의어
1228690-21-8(R)-ethyl 2-(4'-(4-(((1-(2-chlorophenyl)ethoxy)carbonyl)amino)-3-methylisoxazol-5-yl)-[1,1'-biphenyl]-4-yl)acetate[1,1'-Biphenyl]-4-acetic acid, 4'-[4-[[[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]-, ethyl ester[4'-[4-[[[[(R)-1-(2-Chlorophenyl)ethyl]oxy]carbonyl]amino]-3-methylisoxazol-5-yl]biphenyl-4-yl]acetic acid ethyl ester[4-[4-[[[[(R)-1-(2-Chlorophenyl)ethyl]oxy]carbonyl]amino]-3-methylisoxazol-5-yl]biphenyl-4-yl]acetic acid ethyl esterC29H27ClN2O5SCHEMBL2292222OCERXKCDEKVLKY-LJQANCHMSA-NCS-M1731MFCD23142994AKOS037650232(4'-{4-[(R)-1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-acetic acid ethyl ester
이름 더 보기
CS-14494C12463[4-[4-[[[[(R)-1-(2-Chlorophenyl)ethyl]oxy]carbonyl]amino]-3-methylisoxazol-5-yl]biphenyl-4-yl]aceticacidethylesterethyl 2-[4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-isoxazol-5-yl]phenyl]phenyl]acetate
데이터베이스 식별자
- PubChem CID
- 67351643
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 90.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 738
관련 반응
2건
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