기본 정보
- 표준 SMILES
CS(=O)(=O)OCCCc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1- InChIKey
YIRQUTCMBYAGIX-UHFFFAOYSA-N- 분자식
- C22H30ClNO4S
- 평균 분자량
- 440 g/mol
이름 및 식별자
- 우선 이름
- chloro-5-[3-[(methylsulfonyl)oxy]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide
- IUPAC
- 3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]propyl methanesulfonate
이름 및 동의어
2-chloro-5-[3-[(methylsulfonyl)oxy]propyl)-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide2-chloro-5-[3-[(methylsulfonyl)oxy]propyl)-N-(tricyclo[3.3.1.13.7]dec-1-ylmethyl)-benzamide2-chloro-5-[3-[(methylsulfonyl)oxy]propyl]-N-(tricyclo(3.3.1.13,7]dec-1-ylmethyl)-benzamide2-chloro-5-[3-[(methylsulfonyl)oxy]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide2-chloro-5-[3-[(methylsulfonyl)oxy]propyl]-N-(tricyclo[3.3.1.13.7]dec-1-ylmethyl)-benzamideSCHEMBL4128412YIRQUTCMBYAGIX-UHFFFAOYSA-Nchloro-5-[3-[(methylsulfonyl)oxy]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide2-chloro-5-[3-[(methylsulfonyl)oxy]propyl]-N-(tricyclo[3.3.1.13,7]dec 1-ylmethyl)-benzamide
데이터베이스 식별자
- PubChem CID
- 12988688
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 80.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 663
관련 반응
29건
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