ethyl 2-{[(6-{[(2S)-2-fluoropropyl][(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino}-2,3-dihydro-1H-inden-5-yl)oxy]methyl}-1,3-thiazole-5-carboxylate
기본 정보
- 표준 SMILES
CCOC(=O)c1cnc(COc2cc3c(cc2N(C[C@H](C)F)S(=O)(=O)c2nc(C)cs2)CCC3)s1- InChIKey
LFHUSTKZOFELGJ-AWEZNQCLSA-N- 분자식
- C23H26FN3O5S3
- 평균 분자량
- 539.7 g/mol
- 단동위원소 질량
- 539.10186262
이름 및 식별자
- 우선 이름
- ethyl 2-{[(6-{[(2S)-2-fluoropropyl][(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino}-2,3-dihydro-1H-inden-5-yl)oxy]methyl}-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[[6-[[(2S)-2-fluoropropyl]-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]-1,3-thiazole-5-carboxylate
이름 및 동의어
SCHEMBL1644355LFHUSTKZOFELGJ-AWEZNQCLSA-Nethyl 2-{[(6-{[(2S)-2-fluoropropyl][(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino}-2,3-dihydro-1H-inden-5-yl)oxy]methyl}-1,3-thiazole-5-carboxylate
데이터베이스 식별자
- PubChem CID
- 58398494
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 164 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 832
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