5-(2-{[(2S*,3S*)-2,3-dihydroxy-4-mercaptobutyl]thio}-2-thien-3-ylethyl)-2-(4-fluorophenyl)-2-methylfuran-3(2H)-one (HCID 10115125)

기본 정보

표준 SMILES: CC1(c2ccc(F)cc2)OC(CC(SC[C@@H](O)[C@H](O)CS)c2ccsc2)=CC1=O
InChIKey: QLOSDEBUUOIBGB-NQAMIAIDSA-N
분자식: C21H23FO4S3
평균 분자량: 454.6 g/mol

이름 및 식별자

우선 이름: 5-(2-{[(2S*,3S*)-2,3-dihydroxy-4-mercaptobutyl]thio}-2-thien-3-ylethyl)-2-(4-fluorophenyl)-2-methylfuran-3(2H)-one
IUPAC: 5-[2-[(2S,3S)-2,3-dihydroxy-4-sulfanylbutyl]sulfanyl-2-thiophen-3-ylethyl]-2-(4-fluorophenyl)-2-methylfuran-3-one

이름 및 동의어

SCHEMBL6752058QLOSDEBUUOIBGB-NQAMIAIDSA-N5-(2-{[(2S*,3S*)-2,3-dihydroxy-4-mercaptobutyl]thio}-2-thien-3-ylethyl)-2-(4-fluorophenyl)-2-methylfuran-3(2H)-one5-(2-{[(2S*,3S*)-2,3-dihydroxy-4-mercaptobutyl]thio}-2-thien-3-ylethyl)-2-(4-fluorophenyl)-2methylfuran-3(2H)-one

데이터베이스 식별자

PubChem CID: 10115125

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 121 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 8
회전 가능 결합 수: 9
무거운 원자 수: 29
형식 전하: 0
복잡도: 596

화합물 노트

불러오는 중…

5-(2-{[(2S,3S)-2,3-dihydroxy-4-mercaptobutyl]thio}-2-thien-3-ylethyl)-2-(4-fluorophenyl)-2-methylfuran-3(2H)-one